Chem
J-GLOBAL ID：200907058066632278
Nikkaji number：J1.252.269J
5β-Petromyzonol
5β-ペトロミゾノール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C24H42O4
Molecular formula furigana： C24-H42-O4
Molecular weight： 394.596
InChI：
InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChI key：
BMSROUVLRAQRBY-YHEMGIGTSA-N
SMILES：
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name (4)：
- 3α,7α,12α,24-テトラヒドロキシ-5β-コラン
- 5β-コラン-3α,7α,12α,24-テトラオール
- (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-5-ヒドロキシペンタン-2-イル]-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-4,7,11-トリオール
- (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-5-hydroxypentan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
- 3α,7α,12α,24-Tetrahydroxy-5β-cholane
- 5β-Cholane-3α,7α,12α,24-tetrol
- 5β-Petromyzonol
- 5β-ペトロミゾノール
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